7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide

C21H18N6O — CID 10022054

IUPAC7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncc(C(N)=O)nc4c2)CCC3)n1
InChIInChI=1S/C21H18N6O/c1-12-4-2-5-15(24-12)20-19(18-6-3-9-27(18)26-20)13-7-8-14-16(10-13)25-17(11-23-14)21(22)28/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H2,22,28)
InChIKeyPWZWNKNPOZNVAF-UHFFFAOYSA-N
MW370.42 g/mol
LogP2.91
Rot. Bonds3

About 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide

7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide (PubChem CID 10022054) has the molecular formula C21H18N6O and a molecular weight of 370.42 g/mol. Its IUPAC name is 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide.

Molecular Properties

Compound Name7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide
PubChem CID10022054
Molecular FormulaC21H18N6O
Molecular Weight370.42 g/mol
Exact Mass370.15
IUPAC Name7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide
SMILESCc1cccc(-c2nn3c(c2-c2ccc4ncc(C(N)=O)nc4c2)CCC3)n1
InChIInChI=1S/C21H18N6O/c1-12-4-2-5-15(24-12)20-19(18-6-3-9-27(18)26-20)13-7-8-14-16(10-13)25-17(11-23-14)21(22)28/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H2,22,28)
InChIKeyPWZWNKNPOZNVAF-UHFFFAOYSA-N
XLogP2.91
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide?
The IUPAC name of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide (CID 10022054) is 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide.
What is the SMILES notation for 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide?
The canonical SMILES for 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide is Cc1cccc(-c2nn3c(c2-c2ccc4ncc(C(N)=O)nc4c2)CCC3)n1.
What is the InChIKey of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide?
The InChIKey is PWZWNKNPOZNVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O/c1-12-4-2-5-15(24-12)20-19(18-6-3-9-27(18)26-20)13-7-8-14-16(10-13)25-17(11-23-14)21(22)28/h2,4-5,7-8,10-11H,3,6,9H2,1H3,(H2,22,28).
What are the key properties of 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide?
7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide has a molecular weight of 370.42 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(6-methyl-2-pyridinyl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]quinoxaline-2-carboxamide is sourced from PubChem (CID 10022054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).